Trans-Pinaverium Bromide - CAS 1970218-70-2
Catalog: |
BB056758 |
Product Name: |
Trans-Pinaverium Bromide |
CAS: |
1970218-70-2 |
Synonyms: |
4- [(2- Bromo- 4, 5- dimethoxyphenyl) methyl] - 4- [2- [2- [(1S, 2R, 5S) - 6, 6- dimethylbicyclo[3.1. 1] hept- 2- yl] ethoxy] ethyl] - morpholinium Bromide (1:1) |
IUPAC Name: | 4-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-[2-[2-[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-iumbromide |
Description: | Trans-Pinaverium Bromide is a useful research chemical compound. |
Molecular Weight: | 511.52 + (79.90) |
Molecular Formula: | C26H41BrNO4·Br |
Canonical SMILES: | CC1(C2CCC(C1C2)CCOCC[N+]3(CCOCC3)CC4=CC(=C(C=C4Br)OC)OC)C.[Br-] |
InChI: | InChI=1S/C26H41BrNO4.BrH/c1-26(2)21-6-5-19(22(26)16-21)7-11-31-12-8-28(9-13-32-14-10-28)18-20-15-24(29-3)25(30-4)17-23(20)27/h15,17,19,21-22H,5-14,16,18H2,1-4H31H/q+1/p-1/t19-,21-,22-/m0./s1 |
InChI Key: | IKGXLCMLVINENI-QOXGANSBSA-M |
Complexity: | 596 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 591.13818 |
Formal Charge: | 0 |
Heavy Atom Count: | 33 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 589.14023 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 36.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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